Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Nicotinyl Methylamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.67 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.65 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.57 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.55 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nicotinyl Methylamide SCHEMBL30664356 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL28560459 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL129458 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL29082835 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL5891238 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL5528294 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190418 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL9275531 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190415 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190891 | 0.91 | MKNK1 (0.64) | HDAC1HDAC6MKNK1MKNK2LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020115765-A1 | NOVEL SYNERGISTIC COMPOSITION COMPRISING SIRT1 AND AMPK ACTIVATORS FOR TREATING METABOLIC SYNDROME | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-06-11 | — | — | WO | disclosed |
| WO-2008044099-A1 | CHARGE TRANSFER COMPLEXES IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASES | GHISALBERTI CARLO (BR) | 2008-04-17 | — | — | WO | disclosed |